COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -28.187  17.405  -4.770  1.00  0.00           C  
HETATM    2  C   UNL     1     -25.779  16.509  -4.889  1.00  0.00           C  
HETATM    3  C   UNL     1     -28.195  18.713  -3.941  1.00  0.00           C  
HETATM    4  C   UNL     1     -29.580  17.360  -5.439  1.00  0.00           C  
HETATM    5  C   UNL     1     -29.669  18.950  -3.581  1.00  0.00           C  
HETATM    6  C   UNL     1     -30.455  17.786  -4.220  1.00  0.00           C  
HETATM    7  C   UNL     1     -31.897  17.828  -4.691  1.00  0.00           C  
HETATM    8  C   UNL     1     -30.056  15.977  -5.893  1.00  0.00           C  
HETATM    9  C   UNL     1     -29.704  18.380  -6.593  1.00  0.00           C  
HETATM   10  C   UNL     1     -32.598  18.968  -4.665  1.00  0.00           C  
HETATM   11  C   UNL     1     -32.399  16.543  -5.291  1.00  0.00           C  
HETATM   12  C   UNL     1     -33.959  19.157  -5.019  1.00  0.00           C  
HETATM   13  C   UNL     1     -25.984  18.113  -7.814  1.00  0.00           C  
HETATM   14  C   UNL     1     -25.213  19.176  -8.560  1.00  0.00           C  
HETATM   15  C   UNL     1     -26.409  18.437  -6.390  1.00  0.00           C  
HETATM   16  C   UNL     1     -26.920  17.201  -5.627  1.00  0.00           C  
HETATM   17  C   UNL     1     -34.552  20.291  -5.438  1.00  0.00           C  
HETATM   18  C   UNL     1     -33.887  21.561  -5.720  1.00  0.00           C  
HETATM   19  C   UNL     1     -32.769  21.633  -6.422  1.00  0.00           C  
HETATM   20  C   UNL     1     -36.035  20.216  -5.719  1.00  0.00           C  
HETATM   21  C   UNL     1     -31.503  15.965  -6.354  1.00  0.00           C  
HETATM   22  C   UNL     1     -34.648  22.774  -5.240  1.00  0.00           C  
HETATM   23  C   UNL     1     -36.069  22.700  -5.795  1.00  0.00           C  
HETATM   24  C   UNL     1     -36.782  21.463  -5.278  1.00  0.00           C  
HETATM   25  C   UNL     1     -24.310  19.761 -11.128  1.00  0.00           C1+
HETATM   26  C   UNL     1     -24.730  18.711  -9.928  1.00  0.00           C2+
HETATM   27  O   UNL     1     -36.872  21.485  -3.849  1.00  0.00           O  
HETATM   28  O   UNL     1     -33.961  23.969  -5.640  1.00  0.00           O  
HETATM   29  B   UNL     1     -25.708  18.802 -11.345  1.00  0.00           B  
HETATM   30  B   UNL     1     -24.572  19.104 -12.671  1.00  0.00           B  
HETATM   31  B   UNL     1     -22.940  19.237 -11.983  1.00  0.00           B  
HETATM   32  B   UNL     1     -23.060  19.016 -10.230  1.00  0.00           B  
HETATM   33  B   UNL     1     -25.292  17.249 -10.604  1.00  0.00           B  
HETATM   34  B   UNL     1     -25.173  17.465 -12.362  1.00  0.00           B  
HETATM   35  B   UNL     1     -23.456  17.730 -12.762  1.00  0.00           B  
HETATM   36  B   UNL     1     -22.522  17.680 -11.244  1.00  0.00           B  
HETATM   37  B   UNL     1     -23.661  17.381  -9.917  1.00  0.00           B  
HETATM   38  B   UNL     1     -23.903  16.578 -11.479  1.00  0.00           B  
HETATM   39  H   UNL     1     -28.184  16.587  -4.034  1.00  0.00           H  
HETATM   40  H   UNL     1     -24.917  16.401  -5.564  1.00  0.00           H  
HETATM   41  H   UNL     1     -25.488  17.112  -4.016  1.00  0.00           H  
HETATM   42  H   UNL     1     -26.109  15.514  -4.554  1.00  0.00           H  
HETATM   43  H   UNL     1     -27.589  18.597  -3.030  1.00  0.00           H  
HETATM   44  H   UNL     1     -27.804  19.550  -4.537  1.00  0.00           H  
HETATM   45  H   UNL     1     -29.801  18.947  -2.489  1.00  0.00           H  
HETATM   46  H   UNL     1     -30.012  19.912  -3.989  1.00  0.00           H  
HETATM   47  H   UNL     1     -30.392  16.953  -3.504  1.00  0.00           H  
HETATM   48  H   UNL     1     -29.420  15.645  -6.727  1.00  0.00           H  
HETATM   49  H   UNL     1     -29.951  15.277  -5.051  1.00  0.00           H  
HETATM   50  H   UNL     1     -30.708  18.312  -7.037  1.00  0.00           H  
HETATM   51  H   UNL     1     -29.544  19.396  -6.203  1.00  0.00           H  
HETATM   52  H   UNL     1     -28.948  18.159  -7.361  1.00  0.00           H  
HETATM   53  H   UNL     1     -32.065  19.848  -4.336  1.00  0.00           H  
HETATM   54  H   UNL     1     -32.499  15.802  -4.484  1.00  0.00           H  
HETATM   55  H   UNL     1     -33.386  16.734  -5.738  1.00  0.00           H  
HETATM   56  H   UNL     1     -34.595  18.288  -4.943  1.00  0.00           H  
HETATM   57  H   UNL     1     -26.895  17.898  -8.391  1.00  0.00           H  
HETATM   58  H   UNL     1     -25.354  17.212  -7.775  1.00  0.00           H  
HETATM   59  H   UNL     1     -25.865  20.051  -8.697  1.00  0.00           H  
HETATM   60  H   UNL     1     -24.338  19.462  -7.958  1.00  0.00           H  
HETATM   61  H   UNL     1     -25.545  18.851  -5.850  1.00  0.00           H  
HETATM   62  H   UNL     1     -27.213  19.187  -6.425  1.00  0.00           H  
HETATM   63  H   UNL     1     -27.223  16.492  -6.411  1.00  0.00           H  
HETATM   64  H   UNL     1     -32.355  22.596  -6.681  1.00  0.00           H  
HETATM   65  H   UNL     1     -32.270  20.729  -6.737  1.00  0.00           H  
HETATM   66  H   UNL     1     -36.181  20.083  -6.801  1.00  0.00           H  
HETATM   67  H   UNL     1     -36.451  19.350  -5.184  1.00  0.00           H  
HETATM   68  H   UNL     1     -31.596  16.565  -7.271  1.00  0.00           H  
HETATM   69  H   UNL     1     -31.809  14.929  -6.561  1.00  0.00           H  
HETATM   70  H   UNL     1     -34.706  22.736  -4.142  1.00  0.00           H  
HETATM   71  H   UNL     1     -36.626  23.595  -5.482  1.00  0.00           H  
HETATM   72  H   UNL     1     -36.026  22.660  -6.893  1.00  0.00           H  
HETATM   73  H   UNL     1     -37.792  21.436  -5.712  1.00  0.00           H  
HETATM   74  H   UNL     1     -37.339  22.265  -3.573  1.00  0.00           H  
HETATM   75  H   UNL     1     -34.443  24.729  -5.336  1.00  0.00           H  
CONECT    1    3    4   16   39                                       
CONECT    2   16   40   41   42                                       
CONECT    3    1    5   43   44                                       
CONECT    4    1    6    8    9                                       
CONECT    5    3    6   45   46                                       
CONECT    6    4    5    7   47                                       
CONECT    7    6   10   10   11                                       
CONECT    8    4   21   48   49                                       
CONECT    9    4   50   51   52                                       
CONECT   10    7    7   12   53                                       
CONECT   11    7   21   54   55                                       
CONECT   12   10   17   17   56                                       
CONECT   13   14   15   57   58                                       
CONECT   14   13   26   59   60                                       
CONECT   15   13   16   61   62                                       
CONECT   16    1    2   15   63                                       
CONECT   17   12   12   18   20                                       
CONECT   18   17   19   19   22                                       
CONECT   19   18   18   64   65                                       
CONECT   20   17   24   66   67                                       
CONECT   21    8   11   68   69                                       
CONECT   22   18   23   28   70                                       
CONECT   23   22   24   71   72                                       
CONECT   24   20   23   27   73                                       
CONECT   25   26   29   30   31                                       
CONECT   25   32                                                      
CONECT   26   14   25   29   32                                       
CONECT   26   33   37                                                 
CONECT   27   24   74                                                 
CONECT   28   22   75                                                 
CONECT   29   25   26   30   33                                       
CONECT   29   34                                                      
CONECT   30   25   29   31   34                                       
CONECT   30   35                                                      
CONECT   31   25   30   32   35                                       
CONECT   31   36                                                      
CONECT   32   25   26   31   36                                       
CONECT   32   37                                                      
CONECT   33   26   29   34   37                                       
CONECT   33   38                                                      
CONECT   34   29   30   33   35                                       
CONECT   34   38                                                      
CONECT   35   30   31   34   36                                       
CONECT   35   38                                                      
CONECT   36   31   32   35   37                                       
CONECT   36   38                                                      
CONECT   37   26   32   33   36                                       
CONECT   37   38                                                      
CONECT   38   33   34   35   36                                       
CONECT   38   37                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
